molecule_chembl_id |
structure |
assay_type |
relation |
values |
units |
mol_wt |
smiles |
organism |
assay_chembl_id |
bao_label |
CHEMBL218710 |
|
Ki |
= |
0.17 |
nM |
219.22 |
N[C@@]1(C(=O)O)C[S+]([O-])[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL910532 |
cell-based format |
CHEMBL4071962 |
OBDepict
Cl
N
H
O
H
H
NH
2
H
H
O
OH
O
HO
|
Ki |
= |
0.47 |
nM |
338.75 |
N[C@@]1(C(=O)O)C[C@H](NC(=O)c2cccc(Cl)c2)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL4023218 |
cell-based format |
CHEMBL4081453 |
OBDepict
CH
3
O
N
H
O
H
H
H
2
N
H
H
O
OH
O
OH
|
Ki |
= |
0.927 |
nM |
334.33 |
COc1cccc(C(=O)N[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)c1 |
Homo sapiens |
CHEMBL4023218 |
cell-based format |
CHEMBL432038 |
OBDepict
OH
O
H
H
NH
2
O
OH
O
|
Ki |
= |
1.3 |
nM |
353.37 |
N[C@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O |
Homo sapiens |
CHEMBL4719948 |
cell membrane format |
CHEMBL4068189 |
OBDepict
O
NH
OH
H
H
H
2
N
H
H
O
OH
O
HO
|
Ki |
= |
1.79 |
nM |
320.3 |
N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccccc2O)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL4023218 |
cell-based format |
CHEMBL4091203 |
OBDepict
F
N
H
O
H
H
NH
2
H
H
O
OH
O
HO
|
Ki |
= |
2.11 |
nM |
322.29 |
N[C@@]1(C(=O)O)C[C@H](NC(=O)c2cccc(F)c2)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL4023218 |
cell-based format |
CHEMBL4091735 |
OBDepict
OH
N
H
O
H
H
NH
2
H
H
O
OH
O
HO
|
Ki |
= |
2.27 |
nM |
320.3 |
N[C@@]1(C(=O)O)C[C@H](NC(=O)c2cccc(O)c2)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL4023218 |
cell-based format |
CHEMBL4095567 |
OBDepict
Cl
N
H
O
H
H
H
2
N
H
H
O
HO
O
OH
|
Ki |
= |
2.29 |
nM |
338.75 |
N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccc(Cl)cc2)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL4023218 |
cell-based format |
CHEMBL4751065 |
OBDepict
F
F
S
H
H
2
N
H
HO
O
OH
H
H
H
O
OH
ClH
|
Ki |
= |
2.5 |
nM |
395.81 |
Cl.N[C@@]1(C(=O)O)[C@H](CSc2ccc(F)c(F)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O |
Homo sapiens |
CHEMBL4719948 |
cell membrane format |
CHEMBL3969063 |
OBDepict
H
N
N
N
S
H
H
H
O
H
H
H
2
N
O
OH
O
OH
Cl
Cl
|
Ki |
= |
2.7 |
nM |
459.31 |
N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)c(Cl)c2)[C@@H](Sc2nc[nH]n2)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL3869614 |
cell-based format |
CHEMBL140197 |
OBDepict
HO
O
NH
2
H
H
H
OH
H
O
HO
|
Ki |
= |
3.0 |
nM |
175.14 |
N[C@H](C(=O)O)[C@H]1[C@@H](O)[C@@H]1C(=O)O |
Homo sapiens |
CHEMBL714802 |
single protein format |
CHEMBL4063336 |
OBDepict
F
N
H
O
H
H
H
2
N
H
H
O
HO
O
OH
|
Ki |
= |
4.34 |
nM |
322.29 |
N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccc(F)cc2)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL4023218 |
cell-based format |
CHEMBL4759992 |
OBDepict
H
N
N
N
S
H
H
H
H
H
S
NH
2
O
HO
O
HO
CH
3
F
ClH
|
Ki |
= |
4.5 |
nM |
474.97 |
Cc1cc(SC[C@@H]2[C@@H](Sc3nc[nH]n3)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)ccc1F.Cl |
Homo sapiens |
CHEMBL4719948 |
cell membrane format |
CHEMBL186453 |
OBDepict
Cl
Cl
O
H
H
2
N
H
O
OH
H
F
O
OH
|
Ki |
= |
4.5 |
nM |
378.18 |
N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)c(Cl)c2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O |
Homo sapiens |
CHEMBL2182978 |
single protein format |
CHEMBL4061162 |
OBDepict
H
3
C
O
N
H
O
H
H
NH
2
H
H
O
HO
O
HO
|
Ki |
= |
4.56 |
nM |
334.33 |
COc1ccc(C(=O)N[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)cc1 |
Homo sapiens |
CHEMBL4023218 |
cell-based format |
CHEMBL4090293 |
OBDepict
O
NH
F
H
H
H
2
N
H
H
O
OH
O
HO
|
Ki |
= |
5.79 |
nM |
322.29 |
N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccccc2F)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL4023218 |
cell-based format |
CHEMBL275079 |
OBDepict
OH
O
H
2
N
O
H
H
H
O
OH
|
Ki |
= |
5.8 |
nM |
187.15 |
N[C@@]1(C(=O)O)CO[C@@H]2[C@H]1[C@H]2C(=O)O |
Homo sapiens |
CHEMBL717237 |
cell-based format |
CHEMBL4780402 |
OBDepict
CH
3
F
S
H
NH
2
H
OH
O
HO
H
H
H
O
OH
ClH
|
Ki |
= |
5.9 |
nM |
391.85 |
Cc1cc(SC[C@@H]2[C@@H](O)[C@@H]3[C@@H]([C@H]3C(=O)O)[C@]2(N)C(=O)O)ccc1F.Cl |
Homo sapiens |
CHEMBL4719948 |
cell membrane format |
CHEMBL2381643 |
OBDepict
OH
O
H
2
N
H
H
OH
H
H
O
OH
|
IC50 |
= |
6.3 |
nM |
201.18 |
N[C@@]1(C(=O)O)C[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O |
Homo sapiens |
CHEMBL4719944 |
single protein format |
CHEMBL4095995 |
OBDepict
O
NH
H
H
H
2
N
H
H
O
OH
O
HO
|
Ki |
= |
6.75 |
nM |
304.3 |
N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL4023218 |
cell-based format |
CHEMBL4776989 |
OBDepict
F
S
H
NH
2
H
OH
O
HO
H
H
H
O
OH
ClH
|
Ki |
= |
6.8 |
nM |
377.82 |
Cl.N[C@@]1(C(=O)O)[C@H](CSc2ccc(F)cc2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O |
Homo sapiens |
CHEMBL4719948 |
cell membrane format |
CHEMBL4746125 |
OBDepict
CH
3
HN
O
H
H
H
H
H
S
H
2
N
O
OH
O
OH
H
3
C
F
ClH
|
Ki |
= |
7.7 |
nM |
432.9 |
CC(=O)N[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1CSc1ccc(F)c(C)c1.Cl |
Homo sapiens |
CHEMBL4719948 |
cell membrane format |
CHEMBL4070866 |
OBDepict
OH
N
H
O
H
H
H
2
N
H
H
O
HO
O
OH
|
Ki |
= |
9.34 |
nM |
320.3 |
N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccc(O)cc2)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL4023218 |
cell-based format |
CHEMBL8839 |
OBDepict
OH
O
H
2
N
S
H
H
H
O
OH
|
Ki |
= |
9.4 |
nM |
203.22 |
N[C@@]1(C(=O)O)CS[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL717237 |
cell-based format |
CHEMBL4748699 |
OBDepict
Cl
Cl
S
H
H
2
N
H
HO
O
OH
H
H
H
O
OH
ClH
|
Ki |
= |
9.4 |
nM |
428.72 |
Cl.N[C@@]1(C(=O)O)[C@H](CSc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O |
Homo sapiens |
CHEMBL4719948 |
cell membrane format |
CHEMBL2381642 |
OBDepict
OH
O
H
2
N
H
H
OH
H
H
O
OH
|
IC50 |
= |
11.2 |
nM |
201.18 |
N[C@@]1(C(=O)O)C[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O |
Homo sapiens |
CHEMBL4719944 |
single protein format |
CHEMBL4760856 |
OBDepict
Cl
Cl
S
H
NH
2
H
HO
O
OH
H
H
H
O
HO
ClH
|
Ki |
= |
16.3 |
nM |
442.75 |
Cl.N[C@@]1(C(=O)O)[C@H](CSCc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O |
Homo sapiens |
CHEMBL4719948 |
cell membrane format |
CHEMBL4759209 |
OBDepict
OH
O
H
2
N
H
H
S
H
OH
H
H
O
OH
ClH
|
Ki |
= |
19.2 |
nM |
359.83 |
Cl.N[C@@]1(C(=O)O)[C@H](CSc2ccccc2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O |
Homo sapiens |
CHEMBL4719948 |
cell membrane format |
CHEMBL4099470 |
OBDepict
H
3
C
O
N
H
O
H
H
NH
2
H
H
O
HO
O
HO
|
Ki |
= |
23.2 |
nM |
334.33 |
COc1ccccc1C(=O)N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 |
Homo sapiens |
CHEMBL4023218 |
cell-based format |
CHEMBL4784701 |
OBDepict
F
S
H
H
2
N
H
HO
O
OH
H
H
H
O
OH
ClH
|
Ki |
= |
25.1 |
nM |
377.82 |
Cl.N[C@@]1(C(=O)O)[C@H](CSc2cccc(F)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O |
Homo sapiens |
CHEMBL4719948 |
cell membrane format |
CHEMBL4781638 |
OBDepict
OH
O
H
2
N
H
H
S
H
OH
H
H
O
OH
ClH
|
Ki |
= |
26.0 |
nM |
359.83 |
Cl.N[C@@]1(C(=O)O)[C@H](CSc2ccccc2)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O |
Homo sapiens |
CHEMBL4719948 |
cell membrane format |
CHEMBL4757159 |
OBDepict
CH
3
CH
3
S
H
NH
2
H
OH
O
HO
H
H
H
O
OH
ClH
|
Ki |
= |
26.0 |
nM |
387.89 |
Cc1ccc(SC[C@@H]2[C@@H](O)[C@@H]3[C@@H]([C@H]3C(=O)O)[C@]2(N)C(=O)O)cc1C.Cl |
Homo sapiens |
CHEMBL4719948 |
cell membrane format |
CHEMBL4098939 |
OBDepict
O
NH
Cl
H
H
H
2
N
H
H
O
OH
O
HO
|
Ki |
= |
27.4 |
nM |
338.75 |
N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccccc2Cl)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL4023218 |
cell-based format |
CHEMBL8759 |
OBDepict
OH
O
H
2
N
H
H
H
O
OH
|
IC50 |
= |
27.9 |
nM |
185.18 |
N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL4719944 |
single protein format |
CHEMBL4756556 |
OBDepict
CH
3
F
S
H
NH
2
H
NH
2
O
HO
H
H
H
O
OH
ClH
|
Ki |
= |
36.1 |
nM |
390.86 |
Cc1cc(SC[C@@H]2[C@@H](N)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)ccc1F.Cl |
Homo sapiens |
CHEMBL4719948 |
cell membrane format |
CHEMBL3616856 |
OBDepict
H
N
N
S
N
F
F
F
H
H
H
2
N
H
H
O
HO
O
OH
|
Ki |
= |
43.1 |
nM |
352.29 |
N[C@@]1(C(=O)O)C[C@H](Sc2nnc(C(F)(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL3619270 |
cell-based format |
CHEMBL3616849 |
OBDepict
H
N
N
S
N
F
F
F
H
H
H
2
N
H
H
O
HO
O
OH
|
Ki |
= |
56.7 |
nM |
352.29 |
N[C@@]1(C(=O)O)C[C@@H](Sc2nnc(C(F)(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL3619270 |
cell-based format |
CHEMBL3616857 |
OBDepict
F
F
N
N
N
H
S
H
H
H
2
N
H
H
O
HO
O
OH
|
Ki |
= |
57.5 |
nM |
334.3 |
N[C@@]1(C(=O)O)C[C@H](Sc2nnc(C(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL3619270 |
cell-based format |
CHEMBL3616851 |
OBDepict
H
2
N
N
N
N
H
S
H
H
NH
2
H
H
O
HO
O
HO
|
Ki |
= |
58.3 |
nM |
299.31 |
Nc1nnc(S[C@@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 |
Homo sapiens |
CHEMBL3619270 |
cell-based format |
CHEMBL3616848 |
OBDepict
H
3
C
N
N
N
H
S
H
H
NH
2
H
H
O
HO
O
HO
|
Ki |
= |
62.4 |
nM |
298.32 |
Cc1nnc(S[C@@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 |
Homo sapiens |
CHEMBL3619270 |
cell-based format |
CHEMBL3616850 |
OBDepict
F
F
N
N
N
H
S
H
H
H
2
N
H
H
O
HO
O
OH
|
Ki |
= |
63.2 |
nM |
334.3 |
N[C@@]1(C(=O)O)C[C@@H](Sc2nnc(C(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL3619270 |
cell-based format |
CHEMBL3616860 |
OBDepict
H
N
N
N
S
H
H
H
2
N
H
H
O
HO
O
OH
|
Ki |
= |
65.1 |
nM |
284.3 |
N[C@@]1(C(=O)O)C[C@H](Sc2c[nH]nn2)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL3619270 |
cell-based format |
CHEMBL3616858 |
OBDepict
H
2
N
N
N
N
H
S
H
H
NH
2
H
H
O
HO
O
HO
|
Ki |
= |
69.0 |
nM |
299.31 |
Nc1nnc(S[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 |
Homo sapiens |
CHEMBL3619270 |
cell-based format |
CHEMBL3616855 |
OBDepict
H
3
C
N
N
N
H
S
H
H
NH
2
H
H
O
HO
O
HO
|
Ki |
= |
79.0 |
nM |
298.32 |
Cc1nnc(S[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 |
Homo sapiens |
CHEMBL3619270 |
cell-based format |
CHEMBL3616859 |
OBDepict
H
3
C
H
3
C
N
N
N
H
S
H
H
NH
2
H
H
O
HO
O
HO
|
Ki |
= |
82.7 |
nM |
326.38 |
CC(C)c1nnc(S[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 |
Homo sapiens |
CHEMBL3619270 |
cell-based format |
CHEMBL375611 |
OBDepict
OH
O
H
2
N
S
H
O
O
H
H
O
OH
|
Ki |
= |
92.0 |
nM |
235.22 |
N[C@@]1(C(=O)O)CS(=O)(=O)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL910532 |
cell-based format |
CHEMBL8759 |
OBDepict
OH
O
H
2
N
H
H
H
O
OH
|
Ki |
= |
93.3 |
nM |
185.18 |
N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL717237 |
cell-based format |
CHEMBL3616854 |
OBDepict
H
N
N
N
S
H
H
NH
2
H
H
O
OH
O
HO
|
Ki |
= |
126.0 |
nM |
284.3 |
N[C@@]1(C(=O)O)C[C@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL3619270 |
cell-based format |
CHEMBL2381650 |
OBDepict
OH
O
H
2
N
H
H
S
H
H
O
OH
|
Ki |
= |
138.0 |
nM |
293.34 |
N[C@@]1(C(=O)O)C[C@@H](Sc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL3619270 |
cell-based format |
CHEMBL192977 |
OBDepict
OH
O
H
H
H
NH
2
H
H
3
C
O
HO
|
Ki |
= |
146.0 |
nM |
199.21 |
C[C@@H]1C[C@H]2[C@H](C(=O)O)[C@H]2[C@]1(N)C(=O)O |
Homo sapiens |
CHEMBL839635 |
assay format |
CHEMBL3616847 |
OBDepict
H
N
N
N
S
H
H
NH
2
H
H
O
OH
O
HO
|
Ki |
= |
156.0 |
nM |
284.3 |
N[C@@]1(C(=O)O)C[C@@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL3619270 |
cell-based format |
CHEMBL3616852 |
OBDepict
H
3
C
H
3
C
N
N
N
H
S
H
H
NH
2
H
H
O
HO
O
HO
|
Ki |
= |
157.0 |
nM |
326.38 |
CC(C)c1nnc(S[C@@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 |
Homo sapiens |
CHEMBL3619270 |
cell-based format |
CHEMBL2381649 |
OBDepict
CH
3
HN
O
H
H
H
2
N
H
H
O
OH
O
OH
|
Ki |
= |
177.0 |
nM |
242.23 |
CC(=O)N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 |
Homo sapiens |
CHEMBL4023218 |
cell-based format |
CHEMBL2204436 |
OBDepict
Cl
Cl
N
H
H
N
N
N
Br
|
IC50 |
= |
190.0 |
nM |
402.12 |
Clc1ccc(CN[C@H]2CCN(c3ncc(Br)cn3)C2)c(Cl)c1 |
Homo sapiens |
CHEMBL2213651 |
cell-based format |
CHEMBL4779554 |
OBDepict
HO
O
NH
2
H
H
S
H
HO
H
H
O
OH
ClH
|
Ki |
= |
238.0 |
nM |
359.83 |
Cl.N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@@H](O)[C@@H]1CSc1ccccc1 |
Homo sapiens |
CHEMBL4719948 |
cell membrane format |
CHEMBL4778355 |
OBDepict
HO
O
NH
2
H
H
S
H
HO
H
H
O
OH
ClH
|
Ki |
= |
251.0 |
nM |
359.83 |
Cl.N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@H](O)[C@@H]1CSc1ccccc1 |
Homo sapiens |
CHEMBL4719948 |
cell membrane format |
CHEMBL3616853 |
OBDepict
H
N
N
N
S
H
H
H
2
N
H
H
O
HO
O
OH
|
Ki |
= |
259.0 |
nM |
284.3 |
N[C@@]1(C(=O)O)C[C@@H](Sc2c[nH]nn2)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL3619270 |
cell-based format |
CHEMBL1629855 |
OBDepict
O
N
H
N
H
3
C
F
F
F
CH
3
N
CH
3
|
IC50 |
= |
270.0 |
nM |
423.44 |
Cc1cc(-c2cccc(C3=Nc4cc(C)c(C(F)(F)F)cc4NC(=O)C3)c2)cc(C)n1 |
Homo sapiens |
CHEMBL2213653 |
cell-based format |
CHEMBL2381651 |
OBDepict
OH
O
H
2
N
H
H
S
H
H
O
OH
|
Ki |
= |
272.0 |
nM |
293.34 |
N[C@@]1(C(=O)O)C[C@H](Sc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL3619270 |
cell-based format |
CHEMBL4069251 |
OBDepict
O
N
H
H
H
H
2
N
H
H
O
HO
O
OH
|
Ki |
= |
281.0 |
nM |
332.36 |
N[C@@]1(C(=O)O)C[C@H](NC(=O)CCc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL4023218 |
cell-based format |
CHEMBL2381647 |
OBDepict
HO
O
NH
2
H
H
H
2
N
H
H
O
OH
|
Ki |
= |
284.0 |
nM |
200.19 |
N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 |
Homo sapiens |
CHEMBL4023218 |
cell-based format |
CHEMBL3401195 |
OBDepict
F
N
O
N
N
O
|
IC50 |
= |
290.0 |
nM |
337.35 |
O=C1N(c2ccc(F)cc2)CCc2nc(COc3ccccc3)cn21 |
Homo sapiens |
CHEMBL3404398 |
single protein format |
CHEMBL4755204 |
OBDepict
F
S
H
NH
2
H
OH
O
HO
H
H
H
O
OH
ClH
|
Ki |
= |
369.0 |
nM |
377.82 |
Cl.N[C@@]1(C(=O)O)[C@H](CSc2ccccc2F)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O |
Homo sapiens |
CHEMBL4719948 |
cell membrane format |
CHEMBL4093017 |
OBDepict
O
N
H
H
H
NH
2
H
H
O
OH
O
HO
|
Ki |
= |
425.0 |
nM |
324.38 |
N[C@@]1(C(=O)O)C[C@H](NC(=O)CC2CCCCC2)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL4023218 |
cell-based format |
CHEMBL365368 |
OBDepict
HO
O
NH
2
H
H
H
3
C
H
H
O
OH
|
Ki |
= |
511.0 |
nM |
199.21 |
C[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 |
Homo sapiens |
CHEMBL839635 |
assay format |
CHEMBL192051 |
OBDepict
HO
O
NH
2
H
H
H
3
C
H
H
O
OH
|
Ki |
= |
570.0 |
nM |
199.21 |
C[C@@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]21 |
Homo sapiens |
CHEMBL839635 |
assay format |
CHEMBL4749728 |
OBDepict
CH
3
S
CH
3
H
NH
2
H
OH
O
HO
H
H
H
O
OH
|
Ki |
= |
614.0 |
nM |
289.35 |
CC(C)SC[C@@H]1[C@@H](O)[C@@H]2[C@@H]([C@H]2C(=O)O)[C@]1(N)C(=O)O |
Homo sapiens |
CHEMBL4719948 |
cell membrane format |
CHEMBL3401177 |
OBDepict
F
N
O
N
N
O
|
IC50 |
= |
630.0 |
nM |
335.34 |
O=c1n(-c2ccc(F)cc2)ccc2nc(COc3ccccc3)cn12 |
Homo sapiens |
CHEMBL3404398 |
single protein format |
CHEMBL4060567 |
OBDepict
O
NH
H
H
H
2
N
H
H
O
OH
O
HO
|
Ki |
= |
757.0 |
nM |
310.35 |
N[C@@]1(C(=O)O)C[C@H](NC(=O)C2CCCCC2)[C@H]2[C@H](C(=O)O)[C@H]21 |
Homo sapiens |
CHEMBL4023218 |
cell-based format |